3-[4-(2-phenylethyl)phenyl]propanoic acid

C17H18O2 — CID 54586982

IUPAC3-[4-(2-phenylethyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C17H18O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,6-7,12-13H2,(H,18,19)
InChIKeyBOPIHMUTBYQDEA-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.49
Rot. Bonds6

About 3-[4-(2-phenylethyl)phenyl]propanoic acid

3-[4-(2-phenylethyl)phenyl]propanoic acid (PubChem CID 54586982) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[4-(2-phenylethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-phenylethyl)phenyl]propanoic acid
PubChem CID54586982
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-[4-(2-phenylethyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C17H18O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,6-7,12-13H2,(H,18,19)
InChIKeyBOPIHMUTBYQDEA-UHFFFAOYSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

lanthanum;3-phenylpropanoic acid
CID 174887955
benzoyl iodide;3-phenylpropanoic acid
CID 143765725
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
3-(4-phenyliodanuidylphenyl)propanoic acid
CID 6400115
methanol;3-phenylpropanoic acid;prop-1-yne
CID 167587134
3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid
CID 175603484
oxane;3-phenylpropanoic acid
CID 175586375
4-(2-carboxyethyl)phenolate
CID 101364536
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
3-[4-[benzyl(methyl)amino]phenyl]propanoic acid
CID 82305598
3-phenylpropanoic acid;3-phenylpropanoyl chloride;thionyl dichloride
CID 159375897

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenylethyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(2-phenylethyl)phenyl]propanoic acid (CID 54586982) is 3-[4-(2-phenylethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(2-phenylethyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(2-phenylethyl)phenyl]propanoic acid is O=C(O)CCc1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 3-[4-(2-phenylethyl)phenyl]propanoic acid?
The InChIKey is BOPIHMUTBYQDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,6-7,12-13H2,(H,18,19).
What are the key properties of 3-[4-(2-phenylethyl)phenyl]propanoic acid?
3-[4-(2-phenylethyl)phenyl]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenylethyl)phenyl]propanoic acid is sourced from PubChem (CID 54586982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).